2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone

C16H20N2O — CID 82101643

IUPAC2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone
SMILESCN(C)CCNCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O/c1-18(2)10-9-17-12-16(19)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,17H,9-10,12H2,1-2H3
InChIKeyCGRAQOYKTSIPFT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone

2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone (PubChem CID 82101643) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone
PubChem CID82101643
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone
SMILESCN(C)CCNCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O/c1-18(2)10-9-17-12-16(19)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,17H,9-10,12H2,1-2H3
InChIKeyCGRAQOYKTSIPFT-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
1-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 94268915
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone
CID 90693753
2-(2-morpholin-4-ylethylamino)-1-naphthalen-2-ylethanone
CID 82101636
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
CID 82101621
1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82102048
2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101362
1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82101452
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
N',N'-dimethyl-N-naphthalen-2-ylethane-1,2-diamine
CID 43401306

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone (CID 82101643) is 2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone is CN(C)CCNCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone?
The InChIKey is CGRAQOYKTSIPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(2)10-9-17-12-16(19)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,17H,9-10,12H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone?
2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone has a molecular weight of 256.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone is sourced from PubChem (CID 82101643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).